SCHEMBL20562001

SCHEMBL20562001

Oc1c2c(c(O)c3c1C1CCC3C1)C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20561278 0.86 ESR2 (0.31)
SCHEMBL14049628 0.72
SCHEMBL1614427 0.72
SCHEMBL11800410 0.65 ACHE (0.32) PTGS1PTGS2
SCHEMBL8378246 0.65
SCHEMBL9817559 0.64 TDP1 (0.37)
SCHEMBL16577352 0.61 PDE10A (0.36)
SCHEMBL13602100 0.59 ADRA1A (0.37)
SCHEMBL15428150 0.59 ACHE (0.35)
SCHEMBL9471697 0.59 ESR2 (0.67)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10637099-B2 Annulated tetra-substituted hydroquinone ether-based redox shuttle additives for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2020-04-28 US disclosed
US-10637099-B2 Annulated tetra-substituted hydroquinone ether-based redox shuttle additives for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2020-04-28 US disclosed
US-20180337428-A1 ANNULATED TETRA-SUBSTITUTED HYDROQUINONE ETHER-BASED REDOX SHUTTLE ADDITIVES FOR LITHIUM-ION BATTERIES UCHICAGO ARGONNE, LLC (US) 2018-11-22 US disclosed